[(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

C26H33N7O — CID 163219589

About [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

[(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (PubChem CID 163219589) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
• PubChem CID: 163219589
• Molecular Formula: C26H33N7O
• Molecular Weight: 459.60 g/mol
• Exact Mass: 459.27
• IUPAC Name: [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
• SMILES: Cc1c(Nc2ncc3c(n2)CN(C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)[C@H](C)C3)cnn1C
• InChI: InChI=1S/C26H33N7O/c1-17-12-20-13-27-26(29-23-14-28-32(4)18(23)2)30-24(20)16-33(17)25(34)21-10-11-31(3)15-22(21)19-8-6-5-7-9-19/h5-9,13-14,17,21-22H,10-12,15-16H2,1-4H3,(H,27,29,30)/t17-,21+,22-/m1/s1
• InChIKey: MYTUXMKATWMRIA-VOQZNFBZSA-N
• XLogP: 3.27
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.60
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone?

The IUPAC name of [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (CID 163219589) is [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone.

What is the SMILES notation for [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone?

The canonical SMILES for [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone is Cc1c(Nc2ncc3c(n2)CN(C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)[C@H](C)C3)cnn1C.

What is the InChIKey of [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone?

The InChIKey is MYTUXMKATWMRIA-VOQZNFBZSA-N. The full InChI is InChI=1S/C26H33N7O/c1-17-12-20-13-27-26(29-23-14-28-32(4)18(23)2)30-24(20)16-33(17)25(34)21-10-11-31(3)15-22(21)19-8-6-5-7-9-19/h5-9,13-14,17,21-22H,10-12,15-16H2,1-4H3,(H,27,29,30)/t17-,21+,22-/m1/s1.

What are the key properties of [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone?

[(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone has a molecular weight of 459.60 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone is sourced from PubChem (CID 163219589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).